Information card for entry 4085648

Structure parameters

• Common name: compound 1
• Formula: C17 H19 Br Cl3 P
• Calculated formula: C17 H19 Br Cl3 P
• SMILES: C1(c2c(c3c1cccc3)cccc2)[P+](C)(C)C.C(Cl)(Cl)Cl.[Br-]
• Title of publication: Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides
• Authors of publication: Schröder, Fabian G.; Sundermeyer, Jörg
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1017 - 1020
• a: 12.8898 ± 0.0004 Å
• b: 13.7001 ± 0.0004 Å
• c: 21.7692 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3844.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4085587
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No